4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid

C7H10N2O4 — CID 117225077

IUPAC4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid
SMILESCn1c(CCO)c(C(=O)O)[nH]c1=O
InChIInChI=1S/C7H10N2O4/c1-9-4(2-3-10)5(6(11)12)8-7(9)13/h10H,2-3H2,1H3,(H,8,13)(H,11,12)
InChIKeyNTDPHQGSVSTKLC-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.05
Rot. Bonds3

About 4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid

4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid (PubChem CID 117225077) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid
PubChem CID117225077
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid
SMILESCn1c(CCO)c(C(=O)O)[nH]c1=O
InChIInChI=1S/C7H10N2O4/c1-9-4(2-3-10)5(6(11)12)8-7(9)13/h10H,2-3H2,1H3,(H,8,13)(H,11,12)
InChIKeyNTDPHQGSVSTKLC-UHFFFAOYSA-N
XLogP-1.05
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid (CID 117225077) is 4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid is Cn1c(CCO)c(C(=O)O)[nH]c1=O.
What is the InChIKey of 4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid?
The InChIKey is NTDPHQGSVSTKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-9-4(2-3-10)5(6(11)12)8-7(9)13/h10H,2-3H2,1H3,(H,8,13)(H,11,12).
What are the key properties of 4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid?
4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid has a molecular weight of 186.17 g/mol, XLogP of -1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 117225077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).